362-76-5

2',3'-O-异丙亚基鸟苷(362-76-5)核磁图(¹HNMR)

分子式:C13H17N5O5

分子量: 323.3

InChI:InChI=1S/C13H17N5O5/c1-13(2)22-7-5(3-19)21-11(8(7)23-13)18-4-15-6-9(18)16-12(14)17-10(6)20/h4-5,7-8,11,19H,3H2,1-2H3,(H3,14,16,17,20)/t5-,7-,8-,11-/m1/s1

InChIKey: XKPDAYWPKILAMO-IOSLPCCCSA-N

Smiles:OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=O)N=C2)[C@@H]2OC(O[C@H]12)(C)C

Mass

MS2014-05037CW      
2',3'-O-isopropylideneguanosine
C13H17N5O5          (Mass of molecular ion:    323)

   Source Temperature: 250 °C
   Sample Temperature: 200 °C
   Direct, 70 eV

      18.0       1.0
      28.0       1.9
      29.0       1.1
      31.0       2.5
      39.0       1.2
      41.0       3.6
      43.0      11.8
      44.0       1.1
      53.0       1.3
      54.0       1.9
      55.0       2.7
      57.0       2.6
      59.0      11.3
      68.0       2.7
      69.0       5.9
      71.0       5.1
      73.0       3.3
      81.0       1.2
      85.0       4.2
      97.0       1.0
     101.0       1.4
     107.0       1.0
     108.0       2.8
     109.0       7.0
     110.0       5.7
     115.0       1.4
     129.0       1.3
     134.0       3.8
     135.0       4.0
     136.0       1.4
     150.0       1.3
     151.0     100.0
     152.0      17.6
     153.0       1.3
     154.0       1.2
     164.0       1.6
     173.0       1.3
     176.0       1.0
     177.0       1.3
     178.0       1.0
     180.0       3.6
     206.0       1.0
     218.0       2.6
     220.0       2.7
     234.0       6.0
     235.0       2.3
     293.0       2.9
     308.0       4.1
     323.0       9.0
     324.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₇ N₅ O₅	0.046 g : 0.5 ml DMSO-d₆
2',3'-O-isopropylideneguanosine

    Assign.     Shift(ppm)

      A            10.7
      B             7.944
      C             6.55
      D             5.944
      E             5.205
      F             5.08
      G             4.982
      J             4.133
      K             3.55
      L     *1      1.520
      M     *1      1.320

     Hz     ppm     Int.

   4296.17  10.750    197
   3175.37   7.946    604
   2628.26   6.577     32
   2626.97   6.574     38
   2618.55   6.553    150
   2609.21   6.529     30
   2377.13   5.949    268
   2374.39   5.942    267
   2084.80   5.217    125
   2082.05   5.210    123
   2078.57   5.201    137
   2075.83   5.195    136
   2034.80   5.092    103
   2029.30   5.078    241
   2023.81   5.064    102
   1995.42   4.993    135
   1992.49   4.986    134
   1989.19   4.978    114
   1986.26   4.970    114
   1658.57   4.151     58
   1655.28   4.142     69
   1653.44   4.138    130
   1650.33   4.130    127
   1648.50   4.125     69
   1645.38   4.118     56
   1430.53   3.580     35
   1424.12   3.564    107
   1420.64   3.555    127
   1418.99   3.551    181
   1415.51   3.542    179
   1414.05   3.539    130
   1410.20   3.529     97
   1403.97   3.513     32
    607.56   1.521   1000
    527.89   1.321    949

KBr disc